REMARK Name = BDB006382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.398 -3.066 -4.364 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.423 -2.884 -2.884 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.680 -2.513 -2.055 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.223 -2.467 -0.735 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.084 -2.158 0.335 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.420 -1.852 0.051 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.890 -1.851 -1.263 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.134 -2.754 -0.764 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.035 -2.207 -2.316 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.529 -3.038 -2.058 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.927 -3.408 -2.424 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.291 -1.470 -1.598 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -4.882 -0.553 -0.760 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -4.365 -0.141 0.006 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -4.845 -1.929 -2.593 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.204 -0.036 -1.011 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 -6.479 1.173 -0.149 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -6.721 1.073 1.236 0.00 0.00 +0.029 A ATOM 19 C LIG 1 -6.836 2.251 1.987 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -6.803 3.506 1.374 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.615 3.603 0.002 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.443 2.445 -0.753 0.00 0.00 +0.007 A BRANCH 18 23 ATOM 23 N LIG 1 -6.611 -0.145 1.925 0.00 0.00 -0.358 N ATOM 24 H LIG 1 -7.082 -0.153 2.826 0.00 0.00 +0.142 HD ATOM 25 H LIG 1 -6.834 -0.970 1.373 0.00 0.00 +0.142 HD ENDBRANCH 18 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.003 -2.772 0.414 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 2.795 -1.494 0.562 0.00 0.00 -0.028 A ATOM 28 C LIG 1 4.190 -1.496 0.429 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.923 -0.311 0.565 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.281 0.902 0.850 0.00 0.00 -0.017 A ATOM 31 C LIG 1 2.888 0.899 0.993 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.155 -0.282 0.853 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 5.040 2.153 0.964 0.00 0.00 -0.004 A ATOM 34 C LIG 1 5.363 2.750 2.195 0.00 0.00 +0.067 A ATOM 35 C LIG 1 6.085 3.954 2.254 0.00 0.00 +0.015 A ATOM 36 C LIG 1 6.501 4.572 1.078 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.199 3.993 -0.151 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.476 2.798 -0.207 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 4.975 2.125 3.475 0.00 0.00 +0.337 C ATOM 40 O LIG 1 3.831 2.026 3.881 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 6.062 1.693 4.151 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 6.897 1.775 3.651 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9